1RF5

Structural Studies of Streptococcus pneumoniae EPSP Synthase in Unliganded State

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	CCD
Collection date	2001-12-05
Detector	ADSC QUANTUM 315
Wavelength(s)	0.992, 0.980, 0.9183
Spacegroup name	P 21 21 21
Unit cell lengths	115.592, 116.482, 176.323
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	10.000 - 2.300
R-factor	0.2209
Rwork	0.218
R-free	0.25400 *
Structure solution method	MAD
RMSD bond length	0.047
RMSD bond angle	2.490 *
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	X-PLOR (3.851)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.300
High resolution limit [Å]	2.200	2.200
Rmerge	0.036 *	0.128 *
Total number of observations	982621 *
Number of reflections	102641
Completeness [%]	97.2	96.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	4 *	ammonium sulfate, NaCl, HEPES, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	60 (mg/ml)
2	1	drop	Tris-HCl	10 (mM)	pH7.5
3	1	drop		100 (mM)
4	1	reservoir	ammonium sulfate	1.6 (M)
5	1	reservoir		0.1 (M)
6	1	reservoir	HEPES	0.1 (M)	pH7.5